Fig. 3. Learning curves with respect to RI-expanded densities (ML error). (left) weighted mean absolute percentage error (ερ (%)) of the predicted SA-GPR densities as a function of the number of training dimers. The weights correspond to the number of electrons in each dimer and the normalization is defined by the total number of electrons. Color code reflects the number of reference environments. (right) ερ (%) of the predicted SA-GPR densities (M = 1000) divided per dominant contribution to the interaction energy according to ref. 73.
